CID 165972594

En300-1938214

Structural Information

Molecular Formula
C10H12BrFO3
SMILES
COC1=CC(=C(C(=C1)Br)C(CF)O)OC
InChI
InChI=1S/C10H12BrFO3/c1-14-6-3-7(11)10(8(13)5-12)9(4-6)15-2/h3-4,8,13H,5H2,1-2H3
InChIKey
XZYABZSGZYTJTL-UHFFFAOYSA-N
Compound name
1-(2-bromo-4,6-dimethoxyphenyl)-2-fluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00268 151.7
[M+Na]+ 300.98462 163.4
[M-H]- 276.98812 155.8
[M+NH4]+ 296.02922 171.3
[M+K]+ 316.95856 152.9
[M+H-H2O]+ 260.99266 150.8
[M+HCOO]- 322.99360 170.5
[M+CH3COO]- 337.00925 194.5
[M+Na-2H]- 298.97007 155.8
[M]+ 277.99485 172.0
[M]- 277.99595 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.